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I've uploaded the .out file to the ftp site. I've been able to successfully load the .out file with other programs such as MolPlt.
Thanks,
Adam Jara
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I'm having trouble loading GAMESS output files with the newest version of Molekel (5.1.1.4). The program gives me the following error message: ("I/O" Error: Cannot read *.out with OpenBabel.)
Is there a certain format my GAMESS output file must take. The file I'm attempting to open is the result of a successful geometry optimization and I have not altered the file in any way.
Thanks,
Adam Jara
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Hi,
can you please send us the file ?
(I'm assuming you are selecting the GAMESS format in the 'open file' dialog).
Unfortunately bioinformatics.org does not allow attachments, you can put the file on a writable ftp directory here:
ftp.cscs.ch/in/put/abc/uvaretto
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Hi there,
I am a new user of Molekel, and I am also having trouble with loading GAMESS output files. None of mine work! Did you find an answer to this previous post?
I am using Molekel version 5.1.1.4 under Windows XP professional. For more info, I have been using WinGAMES which was built with the Cygwin compiler. This is not PC GAMESS. At the start I was getting an OpenBabel error, however now I get an I/O error that says "Cannot read C:/... with Molekel 4.6 read_gamess() function"
Your help would be greatly appreciated, as from the outside looking in the program looks great!
Thanks in advance
Dr. Duncan Wild..
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I hope you don't mind, however I just uploaded an example of a GAMESS output file that I am trying to load.
Also, more info. I have been choosing the "gam" option when trying to load the files into Molekel.
Thanks again,
Duncan Wild
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I've uploaded the .out file to the ftp site. I've been able to successfully load the .out file with other programs such as MolPlt.
Thanks,
Adam Jara
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